⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8835091 | 0.91 | EPHX2 (0.32) | — | |
| SCHEMBL8835076 | 0.90 | — | — | |
| SCHEMBL9251688 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL9251699 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL9251694 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL19339389 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL9255002 | 0.84 | — | — | |
| SCHEMBL9248289 | 0.84 | — | — | |
| SCHEMBL19339342 | 0.82 | — | — | |
| SCHEMBL19339370 | 0.81 | CYP1A2 (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5662830-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| US-5609791-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-03-11 | — | — | US | disclosed |
| EP-0563982-B1 | Polycyclic diene derivatives | CHISSO CORP (JP) | 1996-07-17 | — | — | EP | disclosed |
| US-5449810-A | Diene derivative | CHISSO CORPORATION (JP) | 1995-09-12 | — | — | US | disclosed |
| EP-0563982-A2 | Polycyclic diene derivatives | Chisso Corporation (JP) | 1993-10-06 | — | — | EP | disclosed |